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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic amide > n-[(2r,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic amide > n-[(2r,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic amide > n-[(2r,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > aromatic amide > n-[(2r,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

Preferred term

n-[(2r,3r)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C27H39F3N4O5

inchi

  • InChI=1S/C27H39F3N4O5/c1-17-14-34(18(2)16-35)25(37)21-13-20(31-24(36)11-12-27(28,29)30)9-10-22(21)39-23(17)15-33(3)26(38)32-19-7-5-4-6-8-19/h9-10,13,17-19,23,35H,4-8,11-12,14-16H2,1-3H3,(H,31,36)(H,32,38)/t17-,18-,23+/m1/s1

inchikey

  • TZWYYOCTWDTYLD-PNCHPQGNSA-N

mass

  • 556.619

monoisotopicmass

  • 556.28725

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H]1CN(C)C(=O)NC3CCCCC3)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:113625

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